CID 11587466

Isobutyl 3-ethoxy-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propanoate

Structural Information

Molecular Formula
C14H22N2O5
SMILES
CCOC(CC(=O)OCC(C)C)N1C=C(C(=O)NC1=O)C
InChI
InChI=1S/C14H22N2O5/c1-5-20-11(6-12(17)21-8-9(2)3)16-7-10(4)13(18)15-14(16)19/h7,9,11H,5-6,8H2,1-4H3,(H,15,18,19)
InChIKey
OPJBBBMGTAMNDZ-UHFFFAOYSA-N
Compound name
2-methylpropyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.15286 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16014 166.1
[M+Na]+ 321.14208 173.5
[M-H]- 297.14558 165.9
[M+NH4]+ 316.18668 178.3
[M+K]+ 337.11602 171.8
[M+H-H2O]+ 281.15012 158.4
[M+HCOO]- 343.15106 183.6
[M+CH3COO]- 357.16671 202.7
[M+Na-2H]- 319.12753 165.9
[M]+ 298.15231 171.4
[M]- 298.15341 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.